1-(4-ethylphenyl)-5-methoxyhexan-2-one

C15H22O2 — CID 105081808

IUPAC1-(4-ethylphenyl)-5-methoxyhexan-2-one
SMILESCCc1ccc(CC(=O)CCC(C)OC)cc1
InChIInChI=1S/C15H22O2/c1-4-13-6-8-14(9-7-13)11-15(16)10-5-12(2)17-3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyHJKRVPOQWSTRBM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.18
Rot. Bonds7

About 1-(4-ethylphenyl)-5-methoxyhexan-2-one

1-(4-ethylphenyl)-5-methoxyhexan-2-one (PubChem CID 105081808) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-methoxyhexan-2-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-methoxyhexan-2-one
PubChem CID105081808
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(4-ethylphenyl)-5-methoxyhexan-2-one
SMILESCCc1ccc(CC(=O)CCC(C)OC)cc1
InChIInChI=1S/C15H22O2/c1-4-13-6-8-14(9-7-13)11-15(16)10-5-12(2)17-3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyHJKRVPOQWSTRBM-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-5-methoxyhexan-2-one
CID 105103190
5-methoxy-1-[4-(trifluoromethoxy)phenyl]hexan-2-one
CID 105090002
1-(3,5-difluorophenyl)-5-methoxyhexan-2-one
CID 105412180
1-(1-butan-2-ylpyrazol-3-yl)-5-methoxyhexan-2-one
CID 105105528
1-(4-ethylphenyl)-3-hydroxypropan-2-one
CID 82280636
1-(3-chloro-2-fluorophenyl)-5-methoxyhexan-2-one
CID 102865728
5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one
CID 105118111
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
5-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116571734
3-[4-(3-methoxybutyl)phenyl]propanoic acid
CID 117114845
1-(4-ethylphenyl)-5-(methylamino)pentan-2-one
CID 116555578
4-(3-methoxybutyl)benzoic acid
CID 117111500

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-methoxyhexan-2-one?
The IUPAC name of 1-(4-ethylphenyl)-5-methoxyhexan-2-one (CID 105081808) is 1-(4-ethylphenyl)-5-methoxyhexan-2-one.
What is the SMILES notation for 1-(4-ethylphenyl)-5-methoxyhexan-2-one?
The canonical SMILES for 1-(4-ethylphenyl)-5-methoxyhexan-2-one is CCc1ccc(CC(=O)CCC(C)OC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-methoxyhexan-2-one?
The InChIKey is HJKRVPOQWSTRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-13-6-8-14(9-7-13)11-15(16)10-5-12(2)17-3/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-5-methoxyhexan-2-one?
1-(4-ethylphenyl)-5-methoxyhexan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-methoxyhexan-2-one is sourced from PubChem (CID 105081808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).